N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide

C20H22F3N3O2 — CID 54833776

IUPACN-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H22F3N3O2/c1-19(2,3)26-18(28)13-6-4-9-16(10-13)25-17(27)12-24-15-8-5-7-14(11-15)20(21,22)23/h4-11,24H,12H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUVFGAPULIUSLAT-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.28
Rot. Bonds5

About N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide

N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide (PubChem CID 54833776) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
PubChem CID54833776
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H22F3N3O2/c1-19(2,3)26-18(28)13-6-4-9-16(10-13)25-17(27)12-24-15-8-5-7-14(11-15)20(21,22)23/h4-11,24H,12H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUVFGAPULIUSLAT-UHFFFAOYSA-N
XLogP4.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844325
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54811040
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
3-[[2-[4-(3-methylbutanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54832794
3-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54833107
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54815970

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide (CID 54833776) is N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The InChIKey is UVFGAPULIUSLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-19(2,3)26-18(28)13-6-4-9-16(10-13)25-17(27)12-24-15-8-5-7-14(11-15)20(21,22)23/h4-11,24H,12H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54833776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).